Details of the Drug

General Information of Drug (ID: DMPHCX7)

Drug Name

(3-Amino-1-ethyl-propyl)-methyl-phosphinic acid

Synonyms

CHEMBL113092; 133345-70-7; Phosphinic acid, (3-amino-1-ethylpropyl)methyl-; ACMC-20muwd; (3-Amino-1-ethyl-propyl)-methyl-phosphinic acid; SCHEMBL341182; CTK0C0402; DTXSID30435583; CCGFQGUALPHBIC-UHFFFAOYSA-N; BDBM50032974; P-(5-aminopent-3-yl)-P-methylphosphinic acid; P-(5-aminopent-3-yl)-P-methyl-phosphinic acid; Phosphinic acid, P-(3-amino-1-ethylpropyl)-P-methyl-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

165.17

Logarithm of the Partition Coefficient (xlogp)

-3

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C6H16NO2P
IUPAC Name: 1-aminopentan-3-yl(methyl)phosphinic acid
Canonical SMILES: CCC(CCN)P(=O)(C)O
InChI: InChI=1S/C6H16NO2P/c1-3-6(4-5-7)10(2,8)9/h6H,3-5,7H2,1-2H3,(H,8,9)
InChIKey: CCGFQGUALPHBIC-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10103488
CAS Number: 133345-70-7
TTD ID: D07YSJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Gamma-aminobutyric acid B receptor (GABBR)	TTDCVZW	GABR1_HUMAN ; GABR2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Phosphinic acid analogues of GABA. 1. New potent and selective GABAB agonists. J Med Chem. 1995 Aug 18;38(17):3297-312.